4-(Dimethylamino)benzoyl chloride

HCID 4400782

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 4755-50-4
표준 SMILES: CN(C)c1ccc(C(=O)Cl)cc1
InChIKey: UGJDXRVQCYBXAJ-UHFFFAOYSA-N
분자식: C9H10ClNO
평균 분자량: 183.63 g/mol
단동위원소 질량: 183.04509162

이름 및 식별자

우선 이름: 4-(Dimethylamino)benzoyl chloride
IUPAC: 4-(dimethylamino)benzoyl chloride
영어명: 4-Dimethylaminobenzoyl chloride
분자식: C9H10ClNO
분자량: 183.63

이름 및 동의어

4-(Dimethylamino)benzoyl chloride4755-50-4Benzoyl chloride, 4-(dimethylamino)-RefChem:97440628-343-7924-821-74-Dimethylaminobenzoyl ChlorideMFCD002360394-(dimethylamino)benzoylchloridep-dimethylaminobenzoyl chlorideDTXSID309638714-dimethylaminobenzoic acid chloride

이름 더 보기

DMABCp-(Dimethylamino)benzoyl chlorideBenzoyl chloride,4-(diMethylaMino)-4-(Dimethylamino)benzoyl chloride 97%4-(Dimethylamino)benzoyl chloride,97%4-(N,N-Dimethylamino)benzoyl chloride4-(Dimethylamino)benzoic acid chloride4-(Dimethylamino)benzoyl chloride, 95%, 95%[4-(diMethylaMino)phenyl]carbonylchloranuide

STR07888AKOS009157394F161724-(Dimethylamino)-benzoyl chloride(Carboxymethyl)trimethyl-p-Dimethylaminobenzoylchlorid4-dimethyaminobenzoyl chlorideSCHEMBL103335

데이터베이스 식별자

CAS: 4755-50-4
PubChem CID: 4400782
DTXSID: DTXSID30963871
EC Number: 628-343-7、924-821-7
Nikkaji: J32.742E

물성

구조 계산 물성

XLogP: 2.8
극성 표면적: 20.3 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 2
회전 가능 결합 수: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 162

물리화학적 성질

녹는점: 145 · 145-149 °C(lit.)
끓는 점: 180 ℃ · 180℃ (15 Torr)
밀도: 1.193 · 1.193±0.06 g/cm3(Predicted)
저장 조건: RT, stored under nitrogen
물리적 상태: 가루
산도 계수 (pKa): 0.98 · 0.98±0.12(Predicted)
색상: Faint brown
수용성: 물과 반응합니다.
BRN: 1100858 · 1100858
InChI: 1S/C9H10ClNO/c1-11(2)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3
InChIKey: UGJDXRVQCYBXAJ-UHFFFAOYSA-N
SMILES: CN(C)c1ccc(cc1)C(Cl)=O

화학적 성질

White to tan crystalline powder

안전 및 규제

GHS 분류

GHS Classification · 6건

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

유해성 정보

Hazard Classes and CategoriesSkin Corr. 1B (100%)

안전 데이터

wgk: 3
ridadr: UN 3261 8/PG 2
HS 번호: 29224999
risk_code: 34
hazard_code: C
safety_code: 26-36/37/39-45
포장분류: III
위험 등급: 8
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
스토리지 클래스: 8A - Combustible corrosive hazardous materials

화학 및 산업

응용 분야

용도4-Dimethylaminobenzoyl chloride is used to make other chemicals. It is an important raw material and intermediate used in organic synthesis, pharmaceuticals and agrochemicals.

일반 설명4-(Dimethylamino)benzoyl chloride is also referred to as 4-(chloroformyl)-N,N-dimethylaniline.